2,3-dihydroxybenzaldehyde

C14H12O6 — CID 159243971

IUPAC2,3-dihydroxybenzaldehyde
SMILESO=Cc1cccc(O)c1O.O=Cc1cccc(O)c1O
InChIInChI=1S/2C7H6O3/c2*8-4-5-2-1-3-6(9)7(5)10/h2*1-4,9-10H
InChIKeyKULFAXRTLNTQMA-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.82
Rot. Bonds2

About 2,3-dihydroxybenzaldehyde

2,3-dihydroxybenzaldehyde (PubChem CID 159243971) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is 2,3-dihydroxybenzaldehyde.

Molecular Properties

Compound Name2,3-dihydroxybenzaldehyde
PubChem CID159243971
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name2,3-dihydroxybenzaldehyde
SMILESO=Cc1cccc(O)c1O.O=Cc1cccc(O)c1O
InChIInChI=1S/2C7H6O3/c2*8-4-5-2-1-3-6(9)7(5)10/h2*1-4,9-10H
InChIKeyKULFAXRTLNTQMA-UHFFFAOYSA-N
XLogP1.82
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2,3-dihydroxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-but-2-enedinitrile;2,3-dihydroxybenzaldehyde
CID 175422336
2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde
CID 160982415
CID 158421076
CID 158421076
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
2-fluoro-3-hydroxybenzaldehyde
CID 587789
3-acetyl-2-hydroxybenzaldehyde
CID 10975813
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
2-hydroxy-3-methoxybenzaldehyde
CID 8991
N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide
CID 5386800
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybenzaldehyde?
The IUPAC name of 2,3-dihydroxybenzaldehyde (CID 159243971) is 2,3-dihydroxybenzaldehyde.
What is the SMILES notation for 2,3-dihydroxybenzaldehyde?
The canonical SMILES for 2,3-dihydroxybenzaldehyde is O=Cc1cccc(O)c1O.O=Cc1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxybenzaldehyde?
The InChIKey is KULFAXRTLNTQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O3/c2*8-4-5-2-1-3-6(9)7(5)10/h2*1-4,9-10H.
What are the key properties of 2,3-dihydroxybenzaldehyde?
2,3-dihydroxybenzaldehyde has a molecular weight of 276.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybenzaldehyde is sourced from PubChem (CID 159243971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).